rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(3,5-dimethylphenyl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide

Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(3,5-dimethylphenyl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 112 mg
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mg
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Compound characteristics

Compound ID: C073-3480
Compound Name: rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(3,5-dimethylphenyl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 555.72
Molecular Formula: C34 H41 N3 O4
Smiles: CC1CCCC(C1C)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cc(C)cc(C)c4)=O)[C@@H]2C(N1CCc1ccccc1)=O)O3)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.9967
logD: 4.996
logSw: -4.6885
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 72.165
InChI Key: TTXUUHZIRWYIDH-ZYTRAGQOSA-N
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